SCHEMBL8308934

SCHEMBL8308934

CCOCCCSc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCN(C(C)=O)CC4)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 5/20 0.45
▸ CHUK O15111 5/20 0.45
▸ IKBKG Q9Y6K9 4/20 0.45
▸ CDK1 P06493 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ SYK P43405 1/20 0.44
▸ JAK2 O60674 10/20 0.43
▸ ACVR1 Q04771 2/20 0.42
▸ JAK3 P52333 5/20 0.42
▸ AURKA O14965 2/20 0.42
▸ CDK7 P50613 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ NTRK1 P04629 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8308363 0.91 IKBKB (0.50) IKBKBCHUKIKBKG
SCHEMBL5070979 0.90 IKBKB (0.47) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8313889 0.89 IKBKB (0.44) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8313335 0.89 IKBKB (0.49) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8308936 0.88 CDK2 (0.47) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8309514 0.87 JAK2 (0.45) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL8312435 0.85 IKBKB (0.51) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL14063867 0.82 JAK2 (0.46) IKBKBCHUKIKBKGCDK1CDK2
SCHEMBL14470099 0.82 IKBKB (0.44) IKBKBCHUKCDK1CDK2JAK2
SCHEMBL8205109 0.80 CDK2 (0.55) IKBKBCHUKIKBKGCDK1CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 — — WO disclosed
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